1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone

C21H25FN2O — CID 108997744

IUPAC1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
SMILESO=C(CNCc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O/c22-20-8-6-19(7-9-20)15-23-16-21(25)24-12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-9,18,23H,10-16H2
InChIKeyTVPHDGLPXZJECY-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.40
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone

1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone (PubChem CID 108997744) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
PubChem CID108997744
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
SMILESO=C(CNCc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O/c22-20-8-6-19(7-9-20)15-23-16-21(25)24-12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-9,18,23H,10-16H2
InChIKeyTVPHDGLPXZJECY-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975819
4-benzyl-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide
CID 17298095
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2362965
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
1-benzyl-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methylguanidine
CID 111749720
1-(4-benzylpiperidin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000628

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone (CID 108997744) is 1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone is O=C(CNCc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone?
The InChIKey is TVPHDGLPXZJECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-20-8-6-19(7-9-20)15-23-16-21(25)24-12-10-18(11-13-24)14-17-4-2-1-3-5-17/h1-9,18,23H,10-16H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone has a molecular weight of 340.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone is sourced from PubChem (CID 108997744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).